SCHEMBL20398262

SCHEMBL20398262

CN1CCN(c2nc3nc(Cl)ccc3s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
KMT2A Q03164 1/20 0.41
NPC1 O15118 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTR6 P50406 1/20 0.38
HPGD P15428 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16896533 0.84 RAB9A (0.54) RAB9AALDH1A1NPC1MAPTLMNA
SCHEMBL16896535 0.82 SMN1; SMN2 (0.54) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL29505379 0.82 SMN1; SMN2 (0.54) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL16896310 0.75 KMT2A (0.48) RAB9AALDH1A1KMT2ALMNATDP1
SCHEMBL29505520 0.75 KMT2A (0.48) RAB9AALDH1A1KMT2ALMNATDP1
SCHEMBL6125241 0.75 NPC1 (0.57) RAB9AHTR3ANPC1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL3468835 0.74 NPC1 (0.56) RAB9AHTR3ANPC1MAPTSMN1; SMN2
SCHEMBL14046555 0.72 NPC1 (0.74) RAB9AALDH1A1HTR3ANPC1MAPT
SCHEMBL20398193 0.71 RAB9A (0.42) RAB9AALDH1A1NPC1MAPTLMNA
SCHEMBL6125228 0.70 RAB9A (0.70) RAB9AALDH1A1KMT2ANPC1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208605-A1 Substituted Aza Compounds as IRAK-4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-07-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180208605-A1 Substituted Aza Compounds as IRAK-4 Inhibitors IRAK4, IRAK2, IRAK1 RAB9A 2855/4885ALDH1A1 1373/4885HTR3B 2821/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.